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	hartrees
Energy at 0K	-132.689325
Energy at 298.15K	-132.691818
HF Energy	-132.689325
Nuclear repulsion energy	60.692387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3056	0.92
2	A'	3063	2978	17.49
3	A'	1997	1942	190.35
4	A'	1481	1440	1.95
5	A'	1222	1188	8.52
6	A'	938	912	319.01
7	A'	693	674	77.63
8	A'	481	468	21.02
9	A"	3259	3169	1.94
10	A"	1128	1097	7.35
11	A"	957	931	10.09
12	A"	343	334	3.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.202	-1.166	0.000
N2	0.000	0.100	0.000
C3	-0.370	1.274	0.000
H4	0.288	-1.694	0.951
H5	0.288	-1.694	-0.951
H6	0.426	2.042	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2829	2.5062	1.0913	1.0913	3.2159
N2	1.2829		1.2301	2.0516	2.0516	1.9875
C3	2.5062	1.2301		3.1855	3.1855	1.1056
H4	1.0913	2.0516	3.1855		1.9024	3.8578
H5	1.0913	2.0516	3.1855	1.9024		3.8578
H6	3.2159	1.9875	1.1056	3.8578	3.8578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.598	N2	C1	H4	119.353
N2	C1	H5	119.353	N2	C3	H6	116.520
H4	C1	H5	121.293

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.055
2	N	-0.011
3	C	-0.145
4	H	0.065
5	H	0.065
6	H	0.082

	x	y	z	Total
	1.463	-0.930	0.000	1.734
CHELPG
AIM
ESP

	x	y	z
x	2.752	-1.182	0.000
y	-1.182	8.785	0.000
z	0.000	0.000	2.762

<r²>	42.255
(<r²>)^1/2	6.500

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)